N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide

C20H25N3O5S — CID 24542946

IUPACN,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(2)20(25)22-21-19(24)13-28-17-9-7-16(8-10-17)23(4)29(26,27)18-11-5-15(3)6-12-18/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyUGCPOKBYSPEWHF-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.00
Rot. Bonds7

About N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide (PubChem CID 24542946) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
PubChem CID24542946
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(2)20(25)22-21-19(24)13-28-17-9-7-16(8-10-17)23(4)29(26,27)18-11-5-15(3)6-12-18/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyUGCPOKBYSPEWHF-UHFFFAOYSA-N
XLogP2.00
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 32743662
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 112775706
N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 24658411
N-(2,4-dimethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247228

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide (CID 24542946) is N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)C(C)C)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide?
The InChIKey is UGCPOKBYSPEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14(2)20(25)22-21-19(24)13-28-17-9-7-16(8-10-17)23(4)29(26,27)18-11-5-15(3)6-12-18/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide?
N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide has a molecular weight of 419.50 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 24542946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).